(R)-N5-(Amino(nitroimino)methyl]-N-[(4-hydroxyphenyl)methyl]-N2-(phenylacetyl)-ornithinamide

HCID 136381102
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Basic information

Standard SMILES
NC(=N[N+](=O)[O-])NCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc(O)cc1
InChIKey
DNSZDWGXCCBQFA-GOSISDBHSA-N
Molecular formula
C21H26N6O5
Average molar mass
442.5 g/mol

Names & identifiers

Preferred name
(R)-N5-(Amino(nitroimino)methyl]-N-[(4-hydroxyphenyl)methyl]-N2-(phenylacetyl)-ornithinamide
IUPAC
(2R)-N-[(4-hydroxyphenyl)methyl]-5-[(N'-nitrocarbamimidoyl)amino]-2-[(2-phenylacetyl)amino]pentanamide

Names & synonyms

(R)-N5 -(Amino(nitroimino)methyl]-N-[(4-hydroxyphenyl)methyl]-N2 -(phenylacetyl)-ornithinamide(R)-N5 -[Amino(nitroimino)methyl]-N-[(4-hydroxyphenyl)methyl]-N2 -(phenylacetyl)-ornithinamideDNSZDWGXCCBQFA-GOSISDBHSA-N

Database identifiers

PubChem CID
136381102

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
175 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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